Accord 08271317192D 153161 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0293 7.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 6.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 5.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6195 6.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3194 8.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9594 6.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2989 6.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6384 6.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9779 6.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3175 6.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3685 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7080 7.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0475 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3871 7.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7265 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0662 7.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4056 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7451 7.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3175 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7451 6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0213 6.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2977 6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5740 6.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8502 6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 6.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6001 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8827 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1654 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4480 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7306 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0132 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2958 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5785 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4263 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9916 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2742 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5585 9.8712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7111 9.6492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2731 10.4078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1153 10.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7237 10.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6618 9.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0730 9.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8023 10.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1805 10.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2030 9.9055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3608 10.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5134 9.9243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0754 10.6829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9176 10.4423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5259 10.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4640 9.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8753 10.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0655 11.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7651 10.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9828 10.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9995 9.3117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1572 9.5525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3099 9.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8718 10.0891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7141 9.8485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3224 10.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2605 9.1727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6718 9.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4010 9.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5615 10.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7792 10.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1419 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4346 8.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7604 8.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8017 9.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9595 9.8276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1121 9.6056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6741 10.3642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5163 10.1236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1247 10.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0628 9.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4740 9.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6642 10.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3638 10.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5815 10.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5982 8.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7560 9.2338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9086 9.0118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4706 9.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3128 9.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9211 9.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8592 8.8539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 9.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 9.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1602 9.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 10.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7407 8.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0333 8.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3592 8.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4004 9.2681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5582 9.5089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7109 9.2869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2728 10.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1150 9.8048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7234 10.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 9.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 9.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 10.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 10.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 10.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2005 9.1290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8201 8.4703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0843 8.6631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1686 8.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7332 9.1128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2445 8.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 8.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 8.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 7.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 8.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9822 11.2096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3799 11.8456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5375 12.0859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5466 12.9618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1490 12.3260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9270 12.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2754 11.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0753 12.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 12.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 12.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4764 12.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0793 11.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2244 11.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7509 11.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4037 12.7371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8014 13.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9590 13.6133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9681 14.4892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5705 13.8534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3485 14.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6969 12.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4968 14.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2108 14.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 13.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8979 14.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 M END > LMISSP0505CP04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C100H178N4O47 > 2187.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261503 > - > - > Active (generated by computational methods) > - $$$$